Dear Nishant, For successful MR a choice of domain boundaries and loop trimming is crucial. Last couple of years I do not even try to run molrep/phaser before running MrBump and Morda, which do a good job with model preparation. Only when these pipelines give leads, but not quite the results I use molrep/phaser/amore.
Morda also prepares NMR-like models (assemblies) from homology models. Regards, Misha ________________________________________ From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Andreas Forster [docandr...@gmail.com] Sent: Tuesday, August 29, 2017 12:42 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] NMR or Homology Model as a MR model Dear Nishant, Rosetta is a good suggestion. You can also use an ensemble of several related (superposed) structures as your search model. This will improve your chances of success. All best. Andreas On Tue, Aug 29, 2017 at 12:50 PM, Nishant Varshney <nik...@gmail.com<mailto:nik...@gmail.com>> wrote: Dear Crystallographers, I am working to solve an human protein structure which has a domain sequence identity of 24% with domain of another protein. As Phaser as well as Molrep failed to give any definite solution (TFZ=3.7 from MR), I want to ask, if solution structure of another protein having domain sequence similarity of 25% or a homology model can be used as a template for MR? Many thanks and Regards Nishant -- Dr. Nishant Kumar Varshney, Research Associate, C/O Dr. Sameena Khan, Drug Discovery Research Center, Translational Health Science and Technology Institute (THSTI) NCR Biotech Science Cluster, 3rd Milestone, Faridabad – Gurgaon Expressway, Faridabad – 121001 (HARYANA), India Ph: +91- 0129-2876477<tel:+91%20129%20287%206477> Mob: 8390564690
